methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate

C14H11N3O2 — CID 68519685

IUPACmethyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C14H11N3O2/c1-19-14(18)12-8-4-7-11(15-12)13-16-9-5-2-3-6-10(9)17-13/h2-8H,1H3,(H,16,17)
InChIKeyIJQQTXVORWKXQR-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.41
Rot. Bonds2

About methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate

methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate (PubChem CID 68519685) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate
PubChem CID68519685
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Namemethyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C14H11N3O2/c1-19-14(18)12-8-4-7-11(15-12)13-16-9-5-2-3-6-10(9)17-13/h2-8H,1H3,(H,16,17)
InChIKeyIJQQTXVORWKXQR-UHFFFAOYSA-N
XLogP2.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate
CID 171934177
6-(1H-benzimidazol-2-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 59406459
6-(1H-benzimidazol-2-yl)-N-methyl-N-phenylpyridine-2-carboxamide
CID 102164753
[4-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]methanone
CID 121299620
6-(1H-benzimidazol-2-yl)-N,N-dioctylpyridine-2-carboxamide
CID 102164752
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);terephthalic acid;tetrahydrate
CID 139060997
N-[1-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]ethenyl]-2-methylaniline
CID 89189689
methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone
CID 121298742
ethyl 1,4-bis[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazine-2-carboxylate
CID 138673006
methyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 46317482

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate (CID 68519685) is methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate is COC(=O)c1cccc(-c2nc3ccccc3[nH]2)n1.
What is the InChIKey of methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate?
The InChIKey is IJQQTXVORWKXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-14(18)12-8-4-7-11(15-12)13-16-9-5-2-3-6-10(9)17-13/h2-8H,1H3,(H,16,17).
What are the key properties of methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate?
methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 68519685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).